CID 19070630

N-cyclopropyl-n-methylcarbamoyl chloride

Structural Information

Molecular Formula
C5H8ClNO
SMILES
CN(C1CC1)C(=O)Cl
InChI
InChI=1S/C5H8ClNO/c1-7(5(6)8)4-2-3-4/h4H,2-3H2,1H3
InChIKey
LDSGUMIQVUMQIM-UHFFFAOYSA-N
Compound name
N-cyclopropyl-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

133.02943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 123.3
[M+Na]+ 156.018648 132.8
[M-H]- 132.022154 129.4
[M+NH4]+ 151.063253 141.5
[M+K]+ 171.992588 131.0
[M+H-H2O]+ 116.026690 118.3
[M+HCOO]- 178.027631 144.3
[M+CH3COO]- 192.043281 179.5
[M+Na-2H]- 154.004096 129.3
[M]+ 133.02888142 127.5
[M]- 133.02997858 127.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe